tert-butyl 2-(3-methoxy-N-(2,4,6-trifluorobenzoyl)anilino)acetate

C20H20F3NO4 — CID 59029385

IUPACtert-butyl 2-(3-methoxy-N-(2,4,6-trifluorobenzoyl)anilino)acetate
SMILESCOc1cccc(N(CC(=O)OC(C)(C)C)C(=O)c2c(F)cc(F)cc2F)c1
InChIInChI=1S/C20H20F3NO4/c1-20(2,3)28-17(25)11-24(13-6-5-7-14(10-13)27-4)19(26)18-15(22)8-12(21)9-16(18)23/h5-10H,11H2,1-4H3
InChIKeyGTZXFLLTJAIUQW-UHFFFAOYSA-N
MW395.38 g/mol
LogP4.10
Rot. Bonds5

About tert-butyl 2-(3-methoxy-N-(2,4,6-trifluorobenzoyl)anilino)acetate

tert-butyl 2-(3-methoxy-N-(2,4,6-trifluorobenzoyl)anilino)acetate (PubChem CID 59029385) has the molecular formula C20H20F3NO4 and a molecular weight of 395.38 g/mol. Its IUPAC name is tert-butyl 2-(3-methoxy-N-(2,4,6-trifluorobenzoyl)anilino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(3-methoxy-N-(2,4,6-trifluorobenzoyl)anilino)acetate
PubChem CID59029385
Molecular FormulaC20H20F3NO4
Molecular Weight395.38 g/mol
Exact Mass395.13
IUPAC Nametert-butyl 2-(3-methoxy-N-(2,4,6-trifluorobenzoyl)anilino)acetate
SMILESCOc1cccc(N(CC(=O)OC(C)(C)C)C(=O)c2c(F)cc(F)cc2F)c1
InChIInChI=1S/C20H20F3NO4/c1-20(2,3)28-17(25)11-24(13-6-5-7-14(10-13)27-4)19(26)18-15(22)8-12(21)9-16(18)23/h5-10H,11H2,1-4H3
InChIKeyGTZXFLLTJAIUQW-UHFFFAOYSA-N
XLogP4.10
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-(3-methoxy-N-(2,4,6-trifluorobenzoyl)anilino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-methoxy-N-(2,4,6-trifluorobenzoyl)anilino)acetate?
The IUPAC name of tert-butyl 2-(3-methoxy-N-(2,4,6-trifluorobenzoyl)anilino)acetate (CID 59029385) is tert-butyl 2-(3-methoxy-N-(2,4,6-trifluorobenzoyl)anilino)acetate.
What is the SMILES notation for tert-butyl 2-(3-methoxy-N-(2,4,6-trifluorobenzoyl)anilino)acetate?
The canonical SMILES for tert-butyl 2-(3-methoxy-N-(2,4,6-trifluorobenzoyl)anilino)acetate is COc1cccc(N(CC(=O)OC(C)(C)C)C(=O)c2c(F)cc(F)cc2F)c1.
What is the InChIKey of tert-butyl 2-(3-methoxy-N-(2,4,6-trifluorobenzoyl)anilino)acetate?
The InChIKey is GTZXFLLTJAIUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO4/c1-20(2,3)28-17(25)11-24(13-6-5-7-14(10-13)27-4)19(26)18-15(22)8-12(21)9-16(18)23/h5-10H,11H2,1-4H3.
What are the key properties of tert-butyl 2-(3-methoxy-N-(2,4,6-trifluorobenzoyl)anilino)acetate?
tert-butyl 2-(3-methoxy-N-(2,4,6-trifluorobenzoyl)anilino)acetate has a molecular weight of 395.38 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-methoxy-N-(2,4,6-trifluorobenzoyl)anilino)acetate is sourced from PubChem (CID 59029385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).